From 24379d009c0833ca7becce3228e0c80758644196 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 5 Oct 2022 21:27:36 -0400 Subject: [PATCH] flag lammps.has_package() python method as new --- doc/src/pair_pace.rst | 3 +-- python/lammps/core.py | 2 ++ 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/doc/src/pair_pace.rst b/doc/src/pair_pace.rst index b54e585f69..3119efcc25 100644 --- a/doc/src/pair_pace.rst +++ b/doc/src/pair_pace.rst @@ -104,7 +104,7 @@ requests to compute `gamma`, as shown in example below: .. code-block:: LAMMPS - pair_style pace/extrapolation + pair_style pace/extrapolation pair_coeff * * Cu.yaml Cu.asi Cu fix pace_gamma all pair 10 pace/extrapolation gamma 1 @@ -112,7 +112,6 @@ requests to compute `gamma`, as shown in example below: compute max_pace_gamma all reduce max f_pace_gamma variable dump_skip equal "c_max_pace_gamma < 5" - dump pace_dump all custom 20 extrapolative_structures.dump id x y z f_pace_gamma dump_modify pace_dump skip v_dump_skip diff --git a/python/lammps/core.py b/python/lammps/core.py index 3d0dc21e80..086c526939 100644 --- a/python/lammps/core.py +++ b/python/lammps/core.py @@ -1634,6 +1634,8 @@ class lammps(object): This is a wrapper around the :cpp:func:`lammps_config_has_package` function of the library interface. + .. versionadded:: TBD + :param name: name of the package :type name: string